KEGG   DRUG: Methylnaltrexone bromide
Entry
D06618                      Drug                                   
Name
Methylnaltrexone bromide (JAN/USAN);
Relistor (TN)
Product
RELISTOR (Salix Pharmaceuticals)
Formula
C21H26NO4. Br
Exact mass
435.1045
Mol weight
436.3394
Structure
Simcomp
Class
Analgesic
 DG01586  Opioid receptor antagonist
Gastrointestinal agent
 DG01770  Laxative
Remark
ATC code: A06AH01
Product: D06618<US>
Product (mixture): D10751<US>
Efficacy
Laxative, Opioid receptor antagonist
Comment
Treatment of peripheral side effects of opioid therapy
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A06 DRUGS FOR CONSTIPATION
   A06A DRUGS FOR CONSTIPATION
    A06AH Peripheral opioid receptor antagonists
     A06AH01 Methylnaltrexone bromide
      D06618  Methylnaltrexone bromide (JAN/USAN) <US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Anti-constipation Agents
   Methylnaltrexone
    D06618  Methylnaltrexone bromide (JAN/USAN)
Drug groups [BR:br08330]
 Analgesic
  DG01586  Opioid receptor antagonist
   D06618  Methylnaltrexone bromide
 Gastrointestinal agent
  DG01770  Laxative
   D06618  Methylnaltrexone bromide
Drug classes [BR:br08332]
 Gastrointestinal agent
  DG01770  Laxative
   D06618  Methylnaltrexone bromide
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D06618  Methylnaltrexone bromide (JAN/USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D06618
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D06618
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D06618
Other DBs
CAS: 73232-52-7
PubChem: 47208269
LigandBox: D06618
LinkDB
KCF data

ATOM        27
            1   C1z C    20.5488  -23.1468
            2   C8y C    20.5488  -21.8205
            3   C1z C    21.7355  -23.8449
            4   C1y C    19.4318  -23.7751
            5   C1x C    21.7355  -22.5185
            6   C8y C    19.4318  -21.2620
            7   C8y C    21.7355  -21.2620
            8   C1y C    22.8524  -23.1468
            9   C1x C    21.7355  -25.1014
            10  O2x O    18.1055  -22.4487
            11  C5x C    19.4318  -25.1014
            12  C1x C    23.9694  -22.5185
            13  C8y C    19.4318  -19.9356
            14  C1x C    22.8524  -21.8903
            15  C8x C    21.7355  -19.9356
            16  N2y N    23.9694  -23.8449 #+
            17  C1x C    20.5488  -25.7995
            18  O5x O    18.3149  -25.7995
            19  C8x C    20.6186  -19.3074
            20  O1a O    18.3149  -19.3074
            21  O1a O    22.9921  -24.8222
            22  C1b C    25.3655  -23.8449
            23  C1y C    26.0636  -25.1014
            24  C1x C    26.0611  -26.4783
            25  C1x C    27.2658  -25.7726
            26  C1a C    23.9694  -25.2411
            27  X   Br   25.9240  -21.6808 #-
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 1
            17   11  18 2
            18   13  19 2
            19   13  20 1
            20    6  10 1
            21    8  14 1
            22   11  17 1
            23   12  16 1
            24   15  19 1
            25    3  21 1 #Up
            26   16  22 1
            27   22  23 1
            28   24  25 1
            29   25  23 1
            30   23  24 1
            31   16  26 1

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